4-hydroxy-N-[4-methyl-3-(3-methylbutoxy)phenyl]pyrrolidine-2-carboxamide

C17H26N2O3 — CID 119798718

IUPAC4-hydroxy-N-[4-methyl-3-(3-methylbutoxy)phenyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)C2CC(O)CN2)cc1OCCC(C)C
InChIInChI=1S/C17H26N2O3/c1-11(2)6-7-22-16-8-13(5-4-12(16)3)19-17(21)15-9-14(20)10-18-15/h4-5,8,11,14-15,18,20H,6-7,9-10H2,1-3H3,(H,19,21)
InChIKeyPNYAPZSEOSDIAS-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.08
Rot. Bonds6

About 4-hydroxy-N-[4-methyl-3-(3-methylbutoxy)phenyl]pyrrolidine-2-carboxamide

4-hydroxy-N-[4-methyl-3-(3-methylbutoxy)phenyl]pyrrolidine-2-carboxamide (PubChem CID 119798718) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-hydroxy-N-[4-methyl-3-(3-methylbutoxy)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[4-methyl-3-(3-methylbutoxy)phenyl]pyrrolidine-2-carboxamide
PubChem CID119798718
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name4-hydroxy-N-[4-methyl-3-(3-methylbutoxy)phenyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)C2CC(O)CN2)cc1OCCC(C)C
InChIInChI=1S/C17H26N2O3/c1-11(2)6-7-22-16-8-13(5-4-12(16)3)19-17(21)15-9-14(20)10-18-15/h4-5,8,11,14-15,18,20H,6-7,9-10H2,1-3H3,(H,19,21)
InChIKeyPNYAPZSEOSDIAS-UHFFFAOYSA-N
XLogP2.08
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-N-[4-methyl-3-(3-methylbutoxy)phenyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide
CID 119797799
methyl 4-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-methylbenzoate
CID 119775407
N-(3-chloro-4-ethoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 54862536
4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]pentanamide
CID 120563196
4-hydroxy-N-[4-(propan-2-yloxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 119742872
1-(1-hydroxypropan-2-yl)-3-[4-methyl-3-(3-methylbutoxy)phenyl]urea
CID 111443385
4-hydroxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119848523
4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119670498
4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]butanamide;hydrochloride
CID 119332237
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119888485
N-[4-(3,5-dimethylphenoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119741335
N-(2,5-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120806

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[4-methyl-3-(3-methylbutoxy)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[4-methyl-3-(3-methylbutoxy)phenyl]pyrrolidine-2-carboxamide (CID 119798718) is 4-hydroxy-N-[4-methyl-3-(3-methylbutoxy)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[4-methyl-3-(3-methylbutoxy)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[4-methyl-3-(3-methylbutoxy)phenyl]pyrrolidine-2-carboxamide is Cc1ccc(NC(=O)C2CC(O)CN2)cc1OCCC(C)C.
What is the InChIKey of 4-hydroxy-N-[4-methyl-3-(3-methylbutoxy)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is PNYAPZSEOSDIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-11(2)6-7-22-16-8-13(5-4-12(16)3)19-17(21)15-9-14(20)10-18-15/h4-5,8,11,14-15,18,20H,6-7,9-10H2,1-3H3,(H,19,21).
What are the key properties of 4-hydroxy-N-[4-methyl-3-(3-methylbutoxy)phenyl]pyrrolidine-2-carboxamide?
4-hydroxy-N-[4-methyl-3-(3-methylbutoxy)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[4-methyl-3-(3-methylbutoxy)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119798718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).